(2S)-3-methyl-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]butanoic acid
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![(2S)-3-methyl-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4d253d043b654278810aa2209f37f244.png "(2S)-3-methyl-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]butanoic acid")
(2S)-3-methyl-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]butanoic acid
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CAS No:
1173680-07-3
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Formula:
C17H22N4O4
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Chemical Name:
(2S)-3-methyl-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]butanoic acid
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Synonyms:
ZINC2439554;EiM07-17617;STK716993;AKOS005533940;MCULE-2920536504;NCGC00299610-01;AB01298897-01;N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-valine;(2S)-3-methyl-2-({(2S)-3-methyl-2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]butanoyl}amino)butanoic acid;1173680-07-3
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CAS No:
(2S)-3-methyl-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]butanoic acid Basic Attributes
346.4 g/mol
346.16410520 g/mol
Computed Properties
Molecular Weight:346.4
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:346.16410520
Monoisotopic Mass:346.16410520
Topological Polar Surface Area:111
Heavy Atom Count:25
Complexity:561
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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